1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one

C17H23N3O — CID 10517268

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1
InChIInChI=1S/C17H23N3O/c1-13-3-2-4-15(11-13)19-9-10-20(17(19)21)16-12-18-7-5-14(16)6-8-18/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyOFCTVKSXYLTEMI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.33
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one (PubChem CID 10517268) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one
PubChem CID10517268
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1
InChIInChI=1S/C17H23N3O/c1-13-3-2-4-15(11-13)19-9-10-20(17(19)21)16-12-18-7-5-14(16)6-8-18/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyOFCTVKSXYLTEMI-UHFFFAOYSA-N
XLogP2.33
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-chloro-phenyl)-imidazolidin-2-one
CID 9839497
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromethyl-phenyl)-imidazolidin-2-one
CID 10545037
8K5G4U34CU
CID 44249745
C2Pjp69bqr
CID 44622882
1-(Piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 46881466
(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 127047229
4-(2,3-Dimethylphenyl)piperazinyl piperidyl ketone
CID 889032
N-(3-methylphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6471094
3-[3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-oxo-imidazolidin-1-yl]-benzonitrile
CID 10541977
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(4-chloro-phenyl)-imidazolidin-2-one
CID 10566536
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-phenyl-imidazolidin-2-one
CID 10730827
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-bromo-phenyl)-imidazolidin-2-one
CID 10784029

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one (CID 10517268) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one is Cc1cccc(N2CCN(C3CN4CCC3CC4)C2=O)c1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one?
The InChIKey is OFCTVKSXYLTEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-3-2-4-15(11-13)19-9-10-20(17(19)21)16-12-18-7-5-14(16)6-8-18/h2-4,11,14,16H,5-10,12H2,1H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 10517268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).